3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid

C17H31NO3 — CID 62934575

IUPAC3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid
SMILESCC1CCC(C(C)C)C(NC(=O)CC(C)(C)CC(=O)O)C1
InChIInChI=1S/C17H31NO3/c1-11(2)13-7-6-12(3)8-14(13)18-15(19)9-17(4,5)10-16(20)21/h11-14H,6-10H2,1-5H3,(H,18,19)(H,20,21)
InChIKeyRBRPQKUOHMGQLJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.45
Rot. Bonds6

About 3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid

3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid (PubChem CID 62934575) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid
PubChem CID62934575
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid
SMILESCC1CCC(C(C)C)C(NC(=O)CC(C)(C)CC(=O)O)C1
InChIInChI=1S/C17H31NO3/c1-11(2)13-7-6-12(3)8-14(13)18-15(19)9-17(4,5)10-16(20)21/h11-14H,6-10H2,1-5H3,(H,18,19)(H,20,21)
InChIKeyRBRPQKUOHMGQLJ-UHFFFAOYSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119750943
(2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119304536
methyl 2-[bis[2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]amino]-2-oxoethyl]amino]acetate
CID 132579395
3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 55110853
N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
CID 55763891
2-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 113225650
tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate
CID 100664847
2-amino-4-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pentanamide
CID 43707055
N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 100851674
1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
CID 91447915
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
2-[cyclohexyl(methoxy)phosphoryl]-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 613401

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid (CID 62934575) is 3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid is CC1CCC(C(C)C)C(NC(=O)CC(C)(C)CC(=O)O)C1.
What is the InChIKey of 3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid?
The InChIKey is RBRPQKUOHMGQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-11(2)13-7-6-12(3)8-14(13)18-15(19)9-17(4,5)10-16(20)21/h11-14H,6-10H2,1-5H3,(H,18,19)(H,20,21).
What are the key properties of 3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid?
3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid has a molecular weight of 297.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 62934575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).